| SpectraBase Compound ID | 4YvKMHpmUi7 |
|---|---|
| InChI | InChI=1S/C31H34O12/c1-29-14-20(32)19-13-31(29,30(19,28(38-2)43-29)16-40-26(37)18-11-7-4-8-12-18)42-27-24(35)23(34)22(33)21(41-27)15-39-25(36)17-9-5-3-6-10-17/h3-12,19,21-24,27-28,33-35H,13-16H2,1-2H3/t19-,21-,22-,23+,24-,27+,28-,29-,30-,31-/m0/s1 |
| InChIKey | FHQISCVSTDQXSV-CAPNLJSASA-N |
| Mol Weight | 598.6 g/mol |
| Molecular Formula | C31H34O12 |
| Exact Mass | 598.205027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HDNuVXhayH |
|---|---|
| Name | 8-O-BENZOYLPAEONIDANIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H34O12 |
| InChI | InChI=1S/C31H34O12/c1-29-14-20(32)19-13-31(29,30(19,28(38-2)43-29)16-40-26(37)18-11-7-4-8-12-18)42-27-24(35)23(34)22(33)21(41-27)15-39-25(36)17-9-5-3-6-10-17/h3-12,19,21-24,27-28,33-35H,13-16H2,1-2H3/t19-,21-,22-,23+,24-,27+,28-,29-,30-,31-/m0/s1 |
| InChIKey | FHQISCVSTDQXSV-CAPNLJSASA-N |
| Literature Reference Author | D.T.HA,T.M.NGOC,I.S.LEE,Y.M.LEE,J.S.KIM,H.JUNG,S.M.LEE,M.K.N A,K.H.BAE |
| Literature Reference Citation | J.NAT.PROD.,72,1465(2009) |
| Literature Reference DOI | 10.1021/np9002004 |
| Molecular Weight | 598.604 g/mol |
| Sample ID | 33368 |
| Solvent | CDCl3 |